Basic information
- Standard SMILES
O=C(OCc1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F- InChIKey
ZYJNNTPHIONUOM-UHFFFAOYSA-N- Molecular formula
- C14H9F2NO4
- Average molar mass
- 293.22 g/mol
- Monoisotopic mass
- 293.04996409
Names & identifiers
- Preferred name
- 2,6-Difluoro-3-nitro-benzoic acid benzyl ester
- IUPAC
- benzyl 2,6-difluoro-3-nitrobenzoate
Names & synonyms
SCHEMBL1818788ZYJNNTPHIONUOM-UHFFFAOYSA-N2,6-difluoro-3-nitro-benzoic acid benzyl ester
Database identifiers
- PubChem CID
- 58317005
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
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